N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea
TL;DR: N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea (CAS 791791-89-4) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)carbamothioyl]-3-methylbutanamide
Also Known As: AN-329/42607761, N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea, N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-3-methylbutanamide, N-{[(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)amino]carbonothioyl}-3-methylbutanamide, N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)carbamothioyl]-3-methylbutanamide
| Molecular Formula | C14H18N4O2S |
|---|---|
| Molecular Weight | 306.12 g/mol |
| LogP | 1.32752 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.11505 |
| Heavy Atoms | 21 |
| Complexity | 670.77716 |
Chemical Identifiers
| CAS Number | 791791-89-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1NC(=S)NC(=O)CC(C)C)C#N)C |
Product Overview
N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea (CAS 791791-89-4), with molecular formula C14H18N4O2S and molecular weight 306.12 g/mol. IUPAC: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)carbamothioyl]-3-methylbutanamide.
Chemical Property Profile of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea
Property Insights of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea
The XLogP value of 1.32752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea. Following Lipinski's Rule of Five, N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea?
The CAS number of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea is 791791-89-4.
What is the molecular formula of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea?
The molecular formula of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea is C14H18N4O2S.
What is the molecular weight of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea?
The molecular weight of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea is 306.12 g/mol.
Where can I buy N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea?
You can request a quote for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-(3-methylbutanoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.